General Information of the Compound
| Compound ID |
CP0454651
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| Compound Name |
N,N-dimethyl-1-[(2S,6R)-3-oxa-13-thiatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-yl]methanamine
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| Structure |
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| Formula |
C19H21NOS
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| Molecular Weight |
311.45
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| Canonical SMILES |
CN(C)CC1C[C@H]2[C@H](O1)c1ccccc1Sc1ccccc21
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| InChI |
InChI=1S/C19H21NOS/c1-20(2)12-13-11-16-14-7-3-5-9-17(14)22-18-10-6-4-8-15(18)19(16)21-13/h3-10,13,16,19H,11-12H2,1-2H3/t13?,16-,19-/m1/s1
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| InChIKey |
KWUQZAPLAOREKL-FDMCOVCTSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01206, Histamine H1 receptor